Glycoside
...
GD026202

Name:
None

Formula:
C28H27O12N3S

Smiles:
CC(=O)OCC1OC(n2c(=S)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.O=c1c2ccccc2[nH]c(=S)n1-c1ccc([N+](=O)[O-])cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 0 FractionCSP3: 0.36
AlogP: 2.69 Num_rotatable_bonds: 8
MolWt: 629.6 Num_heavy_atoms: 44
TPSA: 184.5 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD17289
Formula: C14H9O3N3S

Smiles:
O=c1c2ccccc2[nH]c(=S)n1-c1ccc([N+](=O)[O-])cc1
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.0
AlogP: 2.96 Num_rotatable_bonds: 2
MolWt: 299.31 Num_heavy_atoms: 21
TPSA: 80.93 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O